CID 211059

22156-51-0

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

CC(C#N)(C1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O2/c1-15(11-16,12-5-3-2-4-6-12)13-7-9-14(10-8-13)17(18)19/h2-10H,1H3

InChIKey

CCZBAFVGPJASIZ-UHFFFAOYSA-N

Compound name

2-(4-nitrophenyl)-2-phenylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 252.08987 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.09715	159.3
[M+Na]+	275.07909	173.3
[M+NH4]+	270.12369	164.4
[M+K]+	291.05303	165.2
[M-H]-	251.08259	157.2
[M+Na-2H]-	273.06454	165.7
[M]+	252.08932	160.0
[M]-	252.09042	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe